1,4-dichloro-2-ethoxy-5-methylbenzene

C9H10Cl2O — CID 18335146

IUPAC1,4-dichloro-2-ethoxy-5-methylbenzene
SMILESCCOc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C9H10Cl2O/c1-3-12-9-5-7(10)6(2)4-8(9)11/h4-5H,3H2,1-2H3
InChIKeyONGRNONIHLNWQY-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.70
Rot. Bonds2

About 1,4-dichloro-2-ethoxy-5-methylbenzene

1,4-dichloro-2-ethoxy-5-methylbenzene (PubChem CID 18335146) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 1,4-dichloro-2-ethoxy-5-methylbenzene.

Molecular Properties

Compound Name1,4-dichloro-2-ethoxy-5-methylbenzene
PubChem CID18335146
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name1,4-dichloro-2-ethoxy-5-methylbenzene
SMILESCCOc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C9H10Cl2O/c1-3-12-9-5-7(10)6(2)4-8(9)11/h4-5H,3H2,1-2H3
InChIKeyONGRNONIHLNWQY-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
5-chloro-4-ethoxy-2-methylbenzenesulfinic acid
CID 82476073
1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
CID 82268035
1-chloro-4-ethoxy-5-(3-fluoropropyl)-2-methylbenzene
CID 83937619
1-(3-bromopropyl)-5-chloro-2-ethoxy-4-methylbenzene
CID 83937584
2-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620
2-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylpropan-2-amine
CID 82293239
2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine
CID 82293238
ethyl 2-(4-chloro-2,5-diethoxyphenyl)-2-oxoacetate
CID 82551579

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-ethoxy-5-methylbenzene?
The IUPAC name of 1,4-dichloro-2-ethoxy-5-methylbenzene (CID 18335146) is 1,4-dichloro-2-ethoxy-5-methylbenzene.
What is the SMILES notation for 1,4-dichloro-2-ethoxy-5-methylbenzene?
The canonical SMILES for 1,4-dichloro-2-ethoxy-5-methylbenzene is CCOc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 1,4-dichloro-2-ethoxy-5-methylbenzene?
The InChIKey is ONGRNONIHLNWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-3-12-9-5-7(10)6(2)4-8(9)11/h4-5H,3H2,1-2H3.
What are the key properties of 1,4-dichloro-2-ethoxy-5-methylbenzene?
1,4-dichloro-2-ethoxy-5-methylbenzene has a molecular weight of 205.08 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-ethoxy-5-methylbenzene is sourced from PubChem (CID 18335146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).